smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(c1ccc([O-])c(Cl)c1)c1ccc([O-])c(Cl)c1 ZINC000001769015 567843422 /nfs/dbraw/zinc/84/34/22/567843422.db2.gz XBQRPFBBTWXIFI-UHFFFAOYSA-N -2 3 297.181 4.731 40 0 in-vitro CJABHL